N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide

C15H23NO3S — CID 47328777

IUPACN-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)C(C)SC
InChIInChI=1S/C15H23NO3S/c1-5-6-9-19-14-8-7-12(18-3)10-13(14)16-15(17)11(2)20-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyWDTASSLXVPSKMR-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.56
Rot. Bonds8

About N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide

N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide (PubChem CID 47328777) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
PubChem CID47328777
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)C(C)SC
InChIInChI=1S/C15H23NO3S/c1-5-6-9-19-14-8-7-12(18-3)10-13(14)16-15(17)11(2)20-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyWDTASSLXVPSKMR-UHFFFAOYSA-N
XLogP3.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide
CID 46437000
N-[1-(2-butoxy-5-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55675298
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide
CID 39471769
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
CID 119715038
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 78761678
2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
CID 86857995
2-[2-[[1-(2,5-dioctoxyanilino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N-(2,5-dioctoxyphenyl)propanamide
CID 132575165
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 35366389
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide (CID 47328777) is N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide is CCCCOc1ccc(OC)cc1NC(=O)C(C)SC.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide?
The InChIKey is WDTASSLXVPSKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-6-9-19-14-8-7-12(18-3)10-13(14)16-15(17)11(2)20-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide?
N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 47328777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).